CID 44150885

Einecs 301-455-0

Structural Information

Molecular Formula
C12H18O
SMILES
CC12CC3C4CCC(C4)C3C1(O2)C
InChI
InChI=1S/C12H18O/c1-11-6-9-7-3-4-8(5-7)10(9)12(11,2)13-11/h7-10H,3-6H2,1-2H3
InChIKey
PALRMMBVTSAXSM-UHFFFAOYSA-N
Compound name
3,5-dimethyl-4-oxatetracyclo[6.2.1.02,7.03,5]undecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

178.13577 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.143046 141.9
[M+Na]+ 201.124988 153.4
[M-H]- 177.128494 148.1
[M+NH4]+ 196.169593 168.1
[M+K]+ 217.098928 150.3
[M+H-H2O]+ 161.133030 139.9
[M+HCOO]- 223.133971 158.2
[M+CH3COO]- 237.149621 155.8
[M+Na-2H]- 199.110436 146.6
[M]+ 178.13522142 145.9
[M]- 178.13631858 145.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.